You can download rel-pz.0.3.1.tgz from the following website: http://theossrv1.epfl.ch/Main/Pseudopotentials
The file includes norm-conserving LDA full-relativistic pseudopotentials. Also available are the PBE counterparts. Cheers, Vahid Vahid Askarpour Department of Physics and Atmospheric Science Dalhousie University, Halifax, NS, Canada > On Jan 26, 2018, at 10:10 AM, Malte Sachs <[email protected]> > wrote: > > Dear all, > > I want to calculate the orbital-magnetization of uranium compounds. Thus, I > am looking for full-relativistic norm-conserving pseudopotentials for > uranium. Up to know, I could not manage it to build my own ones. I also > didn't find any relativistic uranium pseudos in the databases listed at the > quantum espresso homepage. Does anyone have an idea, where I can look to find > such kind of pp's? > > Thank you and best regards, > > Malte Sachs > > -- > Malte Sachs > Anorganische Chemie, Fluorchemie > Philipps-Universität Marburg > Hans-Meerwein-Straße 4 > 35032 Marburg (Paketpost: 35043 Marburg) > Tel.: +49 (0)6421 28 - 25 68 0 > http://www.uni-marburg.de/fb15/ag-kraus/ > > <malte_sachs.vcf>_______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
